SCHEMBL6948019

SCHEMBL6948019

CC(C)(C)OC(=O)ON1CC(O)C(c2ccc(Br)cc2)C(CO)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.36
PDE4B Q07343 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
NPC1 O15118 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
THRB P10828 1/20 0.31
TACR1 P25103 1/20 0.31
BRD4 O60885 1/20 0.30
ALDH1A1 P00352 3/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1942520 0.90 PDE4B (0.33) PDE4BTACR1
SCHEMBL6959116 0.88 RORC (0.35) RORCNR1H2NR1H3NPC1RECQL
SCHEMBL6949402 0.86 HDAC1 (0.35) PDE4BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6949154 0.83 RORC (0.38) RORCNR1H2NR1H3CYP3A4CYP2C9
SCHEMBL6953398 0.82 PDE4B (0.35) PDE4BNR1H2TACR1PDE5A
SCHEMBL6955257 0.78 MIF (0.35) RORCPDE4BPDE5A
SCHEMBL6951399 0.78 SLC6A3 (0.37) ALDH1A1KMT2A
SCHEMBL6955012 0.78 REN (0.41) PDE4BALDH1A1L3MBTL1
SCHEMBL7075214 0.78 REN (0.43) RORCTACR1MAPTKMT2AMEN1
SCHEMBL6954303 0.76 MEN1 (0.38) RORCNR1H2NR1H3HTTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed